2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide

C13H18N2O — CID 106591692

IUPAC2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C13H18N2O/c1-4-8-15(3)13(16)10(2)11-6-5-7-12(14)9-11/h4-7,9-10H,1,8,14H2,2-3H3
InChIKeyXARSEWCRTRRDGZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.02
Rot. Bonds4

About 2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide

2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide (PubChem CID 106591692) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
PubChem CID106591692
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(C)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C13H18N2O/c1-4-8-15(3)13(16)10(2)11-6-5-7-12(14)9-11/h4-7,9-10H,1,8,14H2,2-3H3
InChIKeyXARSEWCRTRRDGZ-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 106591019
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
CID 106590925
2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 106591084
2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
CID 106590965
2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide
CID 106591801
2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 106590951
2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 106590813
2-(3-aminophenyl)propanoate
CID 71650577
2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide
CID 106590949
2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide
CID 106591163
2-hydroxypropyl 2-(3-aminophenyl)propanoate
CID 106592560
2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 106591109

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide (CID 106591692) is 2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide is C=CCN(C)C(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide?
The InChIKey is XARSEWCRTRRDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-8-15(3)13(16)10(2)11-6-5-7-12(14)9-11/h4-7,9-10H,1,8,14H2,2-3H3.
What are the key properties of 2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide?
2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide has a molecular weight of 218.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 106591692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).